5-(3-ethoxy-4-formylphenyl)furan-2-carbaldehyde

C14H12O4 — CID 145228205

IUPAC5-(3-ethoxy-4-formylphenyl)furan-2-carbaldehyde
SMILESCCOc1cc(-c2ccc(C=O)o2)ccc1C=O
InChIInChI=1S/C14H12O4/c1-2-17-14-7-10(3-4-11(14)8-15)13-6-5-12(9-16)18-13/h3-9H,2H2,1H3
InChIKeyUGOCZOUUMXAFAH-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.97
Rot. Bonds5

About 5-(3-ethoxy-4-formylphenyl)furan-2-carbaldehyde

5-(3-ethoxy-4-formylphenyl)furan-2-carbaldehyde (PubChem CID 145228205) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is 5-(3-ethoxy-4-formylphenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(3-ethoxy-4-formylphenyl)furan-2-carbaldehyde
PubChem CID145228205
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Name5-(3-ethoxy-4-formylphenyl)furan-2-carbaldehyde
SMILESCCOc1cc(-c2ccc(C=O)o2)ccc1C=O
InChIInChI=1S/C14H12O4/c1-2-17-14-7-10(3-4-11(14)8-15)13-6-5-12(9-16)18-13/h3-9H,2H2,1H3
InChIKeyUGOCZOUUMXAFAH-UHFFFAOYSA-N
XLogP2.97
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-(4-ethoxy-3-fluorophenyl)furan-2-carbaldehyde
CID 169333423
5-(3-bromo-4-ethylphenyl)furan-2-carbaldehyde
CID 169333111
methyl 2-[4-(5-formylfuran-2-yl)-2-methoxyphenoxy]acetate
CID 169333225
5-[3-fluoro-4-(2-methylpropoxy)phenyl]furan-2-carbaldehyde
CID 169334432
5-(3-iodo-4-methoxyphenyl)furan-2-carbaldehyde
CID 169331838
5-[3-fluoro-4-(2-methoxyethoxy)phenyl]furan-2-carbaldehyde
CID 169334200
5-[3-chloro-4-(cyclopropylmethoxy)phenyl]furan-2-carbaldehyde
CID 169335433
5-(4-pentoxyphenyl)furan-2-carbaldehyde
CID 169333298
5-[3-(difluoromethoxy)-4-methoxyphenyl]furan-2-carbaldehyde
CID 169335432
5-(4-ethylphenyl)furan-2-carbaldehyde;methanol
CID 142207596
3-ethoxy-4-formylbenzoic acid
CID 21100742
4-(1-benzothiophen-2-yl)-2-ethoxybenzaldehyde
CID 172649921

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethoxy-4-formylphenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(3-ethoxy-4-formylphenyl)furan-2-carbaldehyde (CID 145228205) is 5-(3-ethoxy-4-formylphenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(3-ethoxy-4-formylphenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(3-ethoxy-4-formylphenyl)furan-2-carbaldehyde is CCOc1cc(-c2ccc(C=O)o2)ccc1C=O.
What is the InChIKey of 5-(3-ethoxy-4-formylphenyl)furan-2-carbaldehyde?
The InChIKey is UGOCZOUUMXAFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4/c1-2-17-14-7-10(3-4-11(14)8-15)13-6-5-12(9-16)18-13/h3-9H,2H2,1H3.
What are the key properties of 5-(3-ethoxy-4-formylphenyl)furan-2-carbaldehyde?
5-(3-ethoxy-4-formylphenyl)furan-2-carbaldehyde has a molecular weight of 244.25 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethoxy-4-formylphenyl)furan-2-carbaldehyde is sourced from PubChem (CID 145228205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).